(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6S/c26-23(30-12-15-9-16(25(27)28)8-14-11-29-13-31-22(14)15)18-10-20(21-6-3-7-32-21)24-19-5-2-1-4-17(18)19/h1-10H,11-13H2